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IFLAB-ZINC02711860

 MMsINC code: MMs01998890
Type: Neutral
Formula: C16H13Cl2FN2O2S2
SMILES:   Clc1cc(Cl)ccc1CSC1=NCCN1S(=O)(=O)c1ccc(F)cc1
InChI:   InChI=1/C16H13Cl2FN2O2S2/c17-12-2-1-11(15(18)9-12)10-24-16-20-7-8-21(16)25(22,23)14-5-3-13(19)4-6-14/h1-6,9H,7-8,10H2

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Potential Energy
Epot(MMFF94)=31.0434 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.328 g/mol  logS: -6.52698  SlogP: 4.6926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0884807  Sterimol/B1: 2.60788  Sterimol/B2: 3.56708  Sterimol/B3: 4.27136
  Sterimol/B4: 8.86477  Sterimol/L: 16.3974 
 
 Surface and Volume Properties
  Accessible surface: 607.99  Positive charged surface: 271.598  Negative charged surface: 336.391  Volume: 332.625
  Hydrophobic surface: 527.211  Hydrophilic surface: 80.779
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.